69K
概要
| 表記: | 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol |
| 組成式: | C14 H14 F N O2 |
| 電荷: | 0 |
| 化学式量: | 247.265 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol |
| OpenEye OEToolkits | 2.0.4 | 5-ethyl-4-fluoranyl-2-(2-methylpyridin-3-yl)oxy-phenol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Cc1ncccc1Oc2cc(F)c(cc2O)CC |
| InChI | InChI | 1.03 | InChI=1S/C14H14FNO2/c1-3-10-7-12(17)14(8-11(10)15)18-13-5-4-6-16-9(13)2/h4-8,17H,3H2,1-2H3 |
| InChIKey | InChI | 1.03 | VHXDJFGLVVJBNS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(O)c(Oc2cccnc2C)cc1F |
| SMILES | CACTVS | 3.385 | CCc1cc(O)c(Oc2cccnc2C)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCc1cc(c(cc1F)Oc2cccnc2C)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCc1cc(c(cc1F)Oc2cccnc2C)O |
